SCHEMBL172620

SCHEMBL172620

CC(C)c1ccc(CI)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PYCR1 P32322 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TYR P14679 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10140562 0.82 IDO1 (0.50) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL14469205 0.80 ADRB2 (0.50) IDO1ESR1ESR2
SCHEMBL14612380 0.80 ADRB2 (0.50) IDO1ESR1ESR2
SCHEMBL282563 0.79 IDO1 (0.52) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL10001687 0.78 ESR1 (0.42) L3MBTL1RAB9ANPC1ESR1ESR2
SCHEMBL3956146 0.78 IDO1 (0.56) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL2265906 0.78 TSHR (0.41) IDO1L3MBTL1ESR1ESR2
SCHEMBL10729588 0.78 IDO1 (0.56) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL8216377 0.77 ESR1 (0.36) IDO1ESR1ESR2
SCHEMBL104124 0.76 TYR (0.58) IDO1TYRRAB9ANPC1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
US-20210352945-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE IN NUTRITIONAL COMPOSITIONS, AND METHODS OF PRODUCING THEREOF HERCULES CAPITAL, INC. 2021-11-18 US disclosed
WO-2015025962-A1 AMIDINE COMPOUND OR SALT THEREOF 富山化学工業株式会社 (JP) 2015-02-26 WO disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
EP-1412323-B1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2009-09-30 EP disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 IDO1 1505/4885PYCR1 2807/4885L3MBTL1 4030/4885
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 IDO1 1505/4885PYCR1 2807/4885L3MBTL1 4030/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A IDO1 3035/4885PYCR1 1587/4885L3MBTL1 3181/4885
US-20210352945-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE IN NUTRITIONAL COMPOSITIONS, AND METHODS OF PRODUCING THEREOF OSTC, FUT5, FUT6 IDO1 2455/4885PYCR1 1705/4885L3MBTL1 4290/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 IDO1 1505/4885PYCR1 2807/4885L3MBTL1 4030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.